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	hartrees
Energy at 0K	-331.009355
Energy at 298.15K	-331.015174
Nuclear repulsion energy	62.341066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2979	2959	4.44
2	A	2147	2134	59.33
3	A	1236	1228	10.36
4	A	896	890	182.60
5	A	681	677	9.89
6	A	188	187	0.00
7	E	3058	3038	5.56
7	E	3058	3038	5.56
8	E	2155	2141	121.86
8	E	2155	2141	121.88
9	E	1411	1402	2.75
9	E	1411	1402	2.75
10	E	918	912	27.33
10	E	918	912	27.33
11	E	854	849	57.49
11	E	854	849	57.48
12	E	501	497	7.94
12	E	501	497	7.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.251
Si2	0.000	0.000	0.637
H3	-1.026	-0.000	-1.641
H4	0.513	0.889	-1.641
H5	0.513	-0.889	-1.641
H6	1.403	-0.000	1.169
H7	-0.701	1.215	1.169
H8	-0.701	-1.215	1.169

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8880	1.0981	1.0981	1.0981	2.7968	2.7968	2.7968
Si2	1.8880		2.4988	2.4988	2.4988	1.5000	1.5000	1.5000
H3	1.0981	2.4988		1.7778	1.7778	3.7143	3.0787	3.0785
H4	1.0981	2.4988	1.7778		1.7778	3.0787	3.0785	3.7143
H5	1.0981	2.4988	1.7778	1.7778		3.0785	3.7143	3.0787
H6	2.7968	1.5000	3.7143	3.0787	3.0785		2.4293	2.4293
H7	2.7968	1.5000	3.0787	3.0785	3.7143	2.4293		2.4293
H8	2.7968	1.5000	3.0785	3.7143	3.0787	2.4293	2.4293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.764	C1	Si2	H7	110.764
C1	Si2	H8	110.764	Si2	C1	H3	110.822
Si2	C1	H4	110.822	Si2	C1	H5	110.822
H3	C1	H4	108.087	H3	C1	H5	108.087
H4	C1	H5	108.087	H6	Si2	H7	108.148
H6	Si2	H8	108.148	H7	Si2	H8	108.148

All results from a given calculation for CH₃SiH₃ (methyl silane)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.630
2	Si	0.658
3	H	0.182
4	H	0.182
5	H	0.182
6	H	-0.192
7	H	-0.192
8	H	-0.192

<r²>	50.857
(<r²>)^1/2	7.131

All results from a given calculation for CH3SiH3 (methyl silane)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SiH₃ (methyl silane)